- InChI
- InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3
- InChI Key
- HCRBXQFHJMCTLF-UHFFFAOYSA-N
- Formula
- C7H14O2
- SMILES
- CCOC(=O)C(C)CC
- Molecular Weight1
- 130.18
- CAS
- 7452-79-1
- Other Names
-
- 2-Methylbutanoic acid ethyl ester
- Butyric acid, 2-methyl-, ethyl ester
- Ethyl «alpha»-methylbutyrate
- NSC 1103
- ethyl 2-methylbutanoate
- ethyl 2-methylbutyrate
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboil : Boiling point at given pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | [-4195.00; -4188.60] | kJ/mol |
|
| ΔcH°liquid | -4195.00 ± 1.30 | kJ/mol | NIST |
| ΔcH°liquid | -4188.60 ± 8.40 | kJ/mol | NIST |
| ΔfG° | -228.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-522.60; -516.10] | kJ/mol |
|
| ΔfH°gas | -516.10 ± 1.40 | kJ/mol | NIST |
| ΔfH°gas | -522.60 ± 8.80 | kJ/mol | NIST |
| ΔfH°liquid | -560.40 ± 1.40 | kJ/mol | NIST |
| ΔfusH° | 13.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [44.00; 64.70] | kJ/mol |
|
| ΔvapH° | 44.30 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 44.30 | kJ/mol | NIST |
| ΔvapH° | 64.70 | kJ/mol | NIST |
| ΔvapH° | 44.00 ± 1.00 | kJ/mol | NIST |
| log10WS | -1.37 | Crippen Calculated Property | |
| logPoct/wat | 1.596 | Crippen Calculated Property | |
| McVol | 116.930 | ml/mol | McGowan Calculated Property |
| Pc | 2966.57 | kPa | Joback Calculated Property |
| Inp | [816.00; 895.00] |
|
|
| Inp | 834.00 | NIST | |
| Inp | 833.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 843.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 841.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 844.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | Outlier 893.00 | NIST | |
| Inp | Outlier 895.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 854.00 | NIST | |
| Inp | 847.00 | NIST | |
| Inp | 835.00 | NIST | |
| Inp | Outlier 895.00 | NIST | |
| Inp | 849.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 847.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 841.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 829.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | Outlier 870.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 843.00 | NIST | |
| Inp | 843.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 859.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 849.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 854.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 832.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 855.00 | NIST | |
| Inp | 855.00 | NIST | |
| Inp | 843.00 | NIST | |
| Inp | 843.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 841.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 854.00 | NIST | |
| Inp | 849.00 | NIST | |
| Inp | 830.00 | NIST | |
| Inp | 849.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 849.00 | NIST | |
| Inp | 856.40 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 861.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | Outlier 819.00 | NIST | |
| Inp | Outlier 816.00 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 864.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 849.00 | NIST | |
| Inp | 860.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 835.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 836.00 | NIST | |
| Inp | 844.00 | NIST | |
| Inp | 839.00 | NIST | |
| Inp | 849.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 835.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 836.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 859.00 | NIST | |
| Inp | 856.00 | NIST | |
| Inp | 860.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 849.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 860.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 833.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 827.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 849.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | Outlier 820.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 827.00 | NIST | |
| Inp | 839.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 849.00 | NIST | |
| Inp | 843.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 835.00 | NIST | |
| Inp | 835.00 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 860.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 835.00 | NIST | |
| Inp | 836.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 849.00 | NIST | |
| Inp | 849.00 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 854.00 | NIST | |
| Inp | 856.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | Outlier 893.00 | NIST | |
| Inp | 854.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 860.00 | NIST | |
| Inp | Outlier 820.00 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 843.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 835.00 | NIST | |
| Inp | 849.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 855.00 | NIST | |
| Inp | 841.00 | NIST | |
| Inp | 834.00 | NIST | |
| I | [1015.00; 1097.00] |
|
|
| I | 1053.00 | NIST | |
| I | 1063.00 | NIST | |
| I | 1073.00 | NIST | |
| I | 1064.00 | NIST | |
| I | 1062.00 | NIST | |
| I | 1040.00 | NIST | |
| I | 1031.00 | NIST | |
| I | 1034.00 | NIST | |
| I | 1057.00 | NIST | |
| I | 1055.00 | NIST | |
| I | 1073.00 | NIST | |
| I | 1048.00 | NIST | |
| I | 1056.00 | NIST | |
| I | 1073.00 | NIST | |
| I | 1041.00 | NIST | |
| I | 1043.00 | NIST | |
| I | 1038.00 | NIST | |
| I | 1063.00 | NIST | |
| I | 1065.00 | NIST | |
| I | 1073.00 | NIST | |
| I | 1057.00 | NIST | |
| I | 1052.00 | NIST | |
| I | 1055.00 | NIST | |
| I | 1066.00 | NIST | |
| I | 1062.00 | NIST | |
| I | Outlier 1083.00 | NIST | |
| I | 1052.00 | NIST | |
| I | Outlier 1022.00 | NIST | |
| I | 1036.00 | NIST | |
| I | 1037.00 | NIST | |
| I | 1050.00 | NIST | |
| I | 1069.00 | NIST | |
| I | 1048.00 | NIST | |
| I | 1040.00 | NIST | |
| I | 1055.20 | NIST | |
| I | 1055.00 | NIST | |
| I | 1055.00 | NIST | |
| I | 1051.00 | NIST | |
| I | 1048.00 | NIST | |
| I | 1069.00 | NIST | |
| I | 1051.00 | NIST | |
| I | 1047.00 | NIST | |
| I | 1049.00 | NIST | |
| I | 1043.00 | NIST | |
| I | 1043.00 | NIST | |
| I | 1070.00 | NIST | |
| I | 1045.00 | NIST | |
| I | 1051.00 | NIST | |
| I | 1070.00 | NIST | |
| I | 1041.00 | NIST | |
| I | 1035.00 | NIST | |
| I | 1052.00 | NIST | |
| I | 1053.00 | NIST | |
| I | 1052.00 | NIST | |
| I | 1053.00 | NIST | |
| I | 1042.00 | NIST | |
| I | 1043.00 | NIST | |
| I | 1040.00 | NIST | |
| I | 1045.00 | NIST | |
| I | 1053.00 | NIST | |
| I | 1049.00 | NIST | |
| I | 1040.00 | NIST | |
| I | 1046.00 | NIST | |
| I | 1053.00 | NIST | |
| I | Outlier 1028.00 | NIST | |
| I | 1058.00 | NIST | |
| I | 1055.00 | NIST | |
| I | 1037.00 | NIST | |
| I | 1045.00 | NIST | |
| I | 1045.00 | NIST | |
| I | Outlier 1028.00 | NIST | |
| I | 1041.00 | NIST | |
| I | 1062.00 | NIST | |
| I | 1060.00 | NIST | |
| I | 1074.00 | NIST | |
| I | 1063.00 | NIST | |
| I | 1050.00 | NIST | |
| I | 1055.00 | NIST | |
| I | 1047.00 | NIST | |
| I | 1052.00 | NIST | |
| I | 1051.00 | NIST | |
| I | 1042.00 | NIST | |
| I | 1052.00 | NIST | |
| I | 1055.00 | NIST | |
| I | 1045.00 | NIST | |
| I | 1056.00 | NIST | |
| I | 1044.00 | NIST | |
| I | Outlier 1077.00 | NIST | |
| I | 1036.00 | NIST | |
| I | 1048.00 | NIST | |
| I | 1049.00 | NIST | |
| I | 1057.00 | NIST | |
| I | 1061.00 | NIST | |
| I | 1041.00 | NIST | |
| I | 1061.00 | NIST | |
| I | 1061.00 | NIST | |
| I | 1041.00 | NIST | |
| I | 1041.00 | NIST | |
| I | 1033.00 | NIST | |
| I | 1048.00 | NIST | |
| I | 1066.00 | NIST | |
| I | 1050.00 | NIST | |
| I | 1049.00 | NIST | |
| I | 1048.00 | NIST | |
| I | 1051.00 | NIST | |
| I | 1050.00 | NIST | |
| I | 1058.00 | NIST | |
| I | 1050.00 | NIST | |
| I | 1058.00 | NIST | |
| I | 1055.00 | NIST | |
| I | 1054.00 | NIST | |
| I | 1048.00 | NIST | |
| I | 1062.00 | NIST | |
| I | 1050.00 | NIST | |
| I | 1063.00 | NIST | |
| I | 1050.00 | NIST | |
| I | Outlier 1015.00 | NIST | |
| I | 1038.00 | NIST | |
| I | 1038.00 | NIST | |
| I | 1067.00 | NIST | |
| I | 1031.00 | NIST | |
| I | Outlier 1097.00 | NIST | |
| I | 1047.00 | NIST | |
| I | 1055.00 | NIST | |
| I | 1053.00 | NIST | |
| I | 1059.00 | NIST | |
| I | 1040.00 | NIST | |
| I | 1059.00 | NIST | |
| I | 1038.00 | NIST | |
| I | 1055.00 | NIST | |
| I | 1059.00 | NIST | |
| I | 1045.00 | NIST | |
| I | 1054.00 | NIST | |
| I | 1048.00 | NIST | |
| I | 1041.00 | NIST | |
| I | 1055.00 | NIST | |
| I | 1059.00 | NIST | |
| I | 1050.00 | NIST | |
| I | 1049.00 | NIST | |
| I | 1059.00 | NIST | |
| I | 1057.00 | NIST | |
| I | 1051.00 | NIST | |
| I | 1041.00 | NIST | |
| I | 1063.00 | NIST | |
| I | 1061.00 | NIST | |
| I | 1061.00 | NIST | |
| I | 1061.00 | NIST | |
| I | 1037.00 | NIST | |
| I | 1046.00 | NIST | |
| I | 1055.00 | NIST | |
| I | 1055.00 | NIST | |
| I | 1045.00 | NIST | |
| I | 1049.00 | NIST | |
| I | 1058.00 | NIST | |
| I | Outlier 1028.00 | NIST | |
| I | 1063.00 | NIST | |
| I | 1051.00 | NIST | |
| I | 1056.00 | NIST | |
| I | 1061.00 | NIST | |
| I | 1066.00 | NIST | |
| I | 1050.00 | NIST | |
| I | 1053.00 | NIST | |
| I | 1057.00 | NIST | |
| Tboil | [405.60; 406.20] | K |
|
| Tboil | 405.60 | K | Vapor p... |
| Tboil | 406.20 | K | NIST |
| Tboil | 406.05 ± 0.40 | K | NIST |
| Tc | 615.76 | K | Joback Calculated Property |
| Tfus | 225.81 | K | Joback Calculated Property |
| Vc | 0.446 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.73; 301.45] | J/mol×K | [435.41; 615.76] |
|
| Cp,gas | 238.73 | J/mol×K | 435.41 | Joback Calculated Property |
| Cp,gas | 250.17 | J/mol×K | 465.47 | Joback Calculated Property |
| Cp,gas | 261.22 | J/mol×K | 495.53 | Joback Calculated Property |
| Cp,gas | 271.87 | J/mol×K | 525.58 | Joback Calculated Property |
| Cp,gas | 282.12 | J/mol×K | 555.64 | Joback Calculated Property |
| Cp,gas | 291.98 | J/mol×K | 585.70 | Joback Calculated Property |
| Cp,gas | 301.45 | J/mol×K | 615.76 | Joback Calculated Property |
| Cp,liquid | 327.40 | J/mol×K | 298.15 | NIST |
| η | [0.0004520; 0.0008310] | Pa×s | [293.15; 343.15] |
|
| η | 0.0008310 | Pa×s | 293.15 | Density... |
| η | 0.0008310 | Pa×s | 293.15 | Density... |
| η | 0.0007740 | Pa×s | 298.15 | Density... |
| η | 0.0007230 | Pa×s | 303.15 | Density... |
| η | 0.0007230 | Pa×s | 303.15 | Density... |
| η | 0.0006770 | Pa×s | 308.15 | Density... |
| η | 0.0006350 | Pa×s | 313.15 | Density... |
| η | 0.0006350 | Pa×s | 313.15 | Density... |
| η | 0.0005970 | Pa×s | 318.15 | Density... |
| η | 0.0005630 | Pa×s | 323.15 | Density... |
| η | 0.0005320 | Pa×s | 328.15 | Density... |
| η | 0.0005030 | Pa×s | 333.15 | Density... |
| η | 0.0004760 | Pa×s | 338.15 | Density... |
| η | 0.0004520 | Pa×s | 343.15 | Density... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboil | [362.10; 429.90] | K | [24.50; 190.00] |
|
| Tboil | 362.10 | K | 24.50 | Vapor p... |
| Tboil | 371.20 | K | 34.00 | Vapor p... |
| Tboil | 378.30 | K | 43.50 | Vapor p... |
| Tboil | 384.20 | K | 53.00 | Vapor p... |
| Tboil | 389.50 | K | 62.50 | Vapor p... |
| Tboil | 394.00 | K | 72.00 | Vapor p... |
| Tboil | 397.90 | K | 81.50 | Vapor p... |
| Tboil | 401.80 | K | 91.00 | Vapor p... |
| Tboil | 408.70 | K | 110.00 | Vapor p... |
| Tboil | 411.70 | K | 119.50 | Vapor p... |
| Tboil | 414.50 | K | 129.00 | Vapor p... |
| Tboil | 417.30 | K | 138.50 | Vapor p... |
| Tboil | 420.10 | K | 148.00 | Vapor p... |
| Tboil | 422.50 | K | 157.50 | Vapor p... |
| Tboil | 424.80 | K | 167.00 | Vapor p... |
| Tboil | 427.00 | K | 176.50 | Vapor p... |
| Tboil | 429.10 | K | 186.00 | Vapor p... |
| Tboil | 429.90 | K | 190.00 | Vapor p... |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-methyl-, ethyl ester.
Mixtures
- Ethanol + Butanoic acid, 2-methyl-, ethyl ester
- 1-Propanol + Butanoic acid, 2-methyl-, ethyl ester
- Butanoic acid, 2-methyl-, ethyl ester + Methyl Alcohol
- Carbon dioxide + Butanoic acid, 2-methyl-, ethyl ester
Sources
- Crippen Method
- Crippen Method
- Vapor pressure data for ethyl-2-methylbutyrate, hexanal and (E)-2-hexenal at a pressure range of (25 to 190) kPa
- High-pressure (vapor + liquid) equilibria for binary systems containing carbon dioxide and key apple odorants, hexanal and ethyl-2-methylbutyrate
- Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
- Density and Viscosity of Binary Mixtures of Ethyl-2-methylbutyrate and Ethyl Hexanoate with Methanol, Ethanol, and 1-Propanol at (293.15, 303.15, and 313.15) K
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.